4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C86H86F6N22O3 — CID 165008769

IUPAC4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CC5CC(F)(F)C5)CC4)nc3)c12
InChIInChI=1S/2C29H28F2N8O.C28H30F2N6O/c1-40-27-5-2-19(11-34-27)14-38-23-8-24(38)16-37(15-23)26-4-3-20(12-33-26)25-9-22(36-7-6-29(30,31)18-36)17-39-28(25)21(10-32)13-35-39;1-40-27-3-2-18(10-35-27)14-38-22-7-23(38)17-37(16-22)26-13-33-25(12-34-26)24-6-20(19-4-5-29(30,31)8-19)15-39-28(24)21(9-32)11-36-39;29-28(30)13-19(14-28)11-25(37)20-5-9-35(10-6-20)26-4-3-21(16-32-26)24-12-23(34-7-1-2-8-34)18-36-27(24)22(15-31)17-33-36/h2-5,9,11-13,17,23-24H,6-8,14-16,18H2,1H3;2-3,6,10-13,15,19,22-23H,4-5,7-8,14,16-17H2,1H3;3-4,12,16-20H,1-2,5-11,13-14H2
InChIKeyJJHCCUYDMGTRFU-UHFFFAOYSA-N
MW1589.77 g/mol
LogP13.50
Rot. Bonds18

About 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165008769) has the molecular formula C86H86F6N22O3 and a molecular weight of 1589.77 g/mol. Its IUPAC name is 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165008769
Molecular FormulaC86H86F6N22O3
Molecular Weight1589.77 g/mol
Exact Mass1588.72
IUPAC Name4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CC5CC(F)(F)C5)CC4)nc3)c12
InChIInChI=1S/2C29H28F2N8O.C28H30F2N6O/c1-40-27-5-2-19(11-34-27)14-38-23-8-24(38)16-37(15-23)26-4-3-20(12-33-26)25-9-22(36-7-6-29(30,31)18-36)17-39-28(25)21(10-32)13-35-39;1-40-27-3-2-18(10-35-27)14-38-22-7-23(38)17-37(16-22)26-13-33-25(12-34-26)24-6-20(19-4-5-29(30,31)8-19)15-39-28(24)21(9-32)11-36-39;29-28(30)13-19(14-28)11-25(37)20-5-9-35(10-6-20)26-4-3-21(16-32-26)24-12-23(34-7-1-2-8-34)18-36-27(24)22(15-31)17-33-36/h2-5,9,11-13,17,23-24H,6-8,14-16,18H2,1H3;2-3,6,10-13,15,19,22-23H,4-5,7-8,14,16-17H2,1H3;3-4,12,16-20H,1-2,5-11,13-14H2
InChIKeyJJHCCUYDMGTRFU-UHFFFAOYSA-N
XLogP13.50
TPSA258.82 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.77
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

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US10174028, Example 688
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4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[4-(trideuteriomethyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
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US10023570, Example 714
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US10023570, Example 692
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US11168090, Example 118
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4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
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4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
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6-(2-Cyclopropyl-5,5-dimethyl-1,3-oxazolidin-3-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
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4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165008769) is 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CCC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CC5CC(F)(F)C5)CC4)nc3)c12.
What is the InChIKey of 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JJHCCUYDMGTRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28F2N8O.C28H30F2N6O/c1-40-27-5-2-19(11-34-27)14-38-23-8-24(38)16-37(15-23)26-4-3-20(12-33-26)25-9-22(36-7-6-29(30,31)18-36)17-39-28(25)21(10-32)13-35-39;1-40-27-3-2-18(10-35-27)14-38-22-7-23(38)17-37(16-22)26-13-33-25(12-34-26)24-6-20(19-4-5-29(30,31)8-19)15-39-28(24)21(9-32)11-36-39;29-28(30)13-19(14-28)11-25(37)20-5-9-35(10-6-20)26-4-3-21(16-32-26)24-12-23(34-7-1-2-8-34)18-36-27(24)22(15-31)17-33-36/h2-5,9,11-13,17,23-24H,6-8,14-16,18H2,1H3;2-3,6,10-13,15,19,22-23H,4-5,7-8,14,16-17H2,1H3;3-4,12,16-20H,1-2,5-11,13-14H2.
What are the key properties of 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1589.77 g/mol, XLogP of 13.50, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(3,3-difluorocyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluorocyclopentyl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165008769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).